References

Spectroscopic constants

CO2

Version 0.9 uses uses the CO2 spectrosopic coefficients of [Klarenaar2017] , Table 2,3 and the references therein. ⚠️ These constants have been compiled for Treanor distributions and may not be suited for Boltzmann distributions.

{
"CO2": {
    "isotopes":{
        "1": {
            "electronic_level":{
                "001":{
                    "Te_cm-1": 0.0,
                    "dzero_cm^-1": 44600,
                    "g_e": 1.0,
                    "index": 1,
                    "name": "X1SIGu+",
                    "#REF": "Klarenaar 2017 doi/10.1088/1361-6595/aa902e Table 2,3 and the references therein",
                    "we1_cm-1":  1333.93,
                    "we2_cm-1":  667.47,
                    "we3_cm-1":  2349.16,
                    "wexe1_cm-1":   2.93,
                    "wexe2_cm-1":  -0.38,
                    "wexe3_cm-1": 12.47,
                    "Be_cm-1":  0.39022,
                    "De_cm-1":  0.1333e-6,

See the full list of constants of the public version as text or on GitHub

In version 1.0, RADIS will use the spectroscopic constants of [Suzuki1968]

CO

CO uses the Dunham coefficients of [Guelachvili1983]

{
"CO": {
    "isotopes":{
        "1": {
            "electronic_level":{
                "001":{
                    "Te_cm-1": 0.0,
                    "dzero_cm^-1": 89490.0,
                    "g_e": 1.0,
                    "index": 1,
                    "name": "X1SIG+",
                    "nvib1": 17,
                    "nvib2": 83,
                    "r_equil_angstrom": 1.128323,
                    "#REF_Yij": "Guelachvili 1983 doi/10.1016/0022-2852(83)90203-5",
                    "Y10_cm-1":  0.2169813079e+04,
                    "Y20_cm-1": -0.1328790587e+02,
                    "Y30_cm-1":  0.1041444739e-01,
                    "Y40_cm-1":  0.6921598529e-04,
                    "Y50_cm-1":  0.1657890319e-06,

See the full list of constants of the public version as text or on GitHub

You can use your own set of spectroscopic constants, or precompute energy levels and use them directly (see the Energy level database).

References

Klarenaar2017

B. L. M. Klarenaar, R. Engeln, D. C. M. van den Bekerom, M. C. M. van de Sanden, A. S. MorilloCandas, O. Guaitella, “Time evolution of vibrational temperatures in a CO2 glow discharge measured with infrared absorption spectroscopy”, Plasma Sources Science and Technology 26 (11) (2017) 115008, ISSN 1361-6595, doi:10.1088/1361-6595/aa902e.

Suzuki1968

I. Suzuki, “General anharmonic force constants of carbon dioxide” Journal of Molecular Spectroscopy 25 479-500 ISSN 00222852 doi:10.1016/S0022-2852(68)80018-9

Guelachvili1983

G.Guelachvili, D.de Villeneuve R.Farrenq, W.Urban, J.Verges, Dunham coefficients for seven isotopic species of CO doi:10.1016/0022-2852(83)90203-5

Bibliography

List of bibliographic references used in this project:

CANTERA

D. G. Goodwin, H. K. Moffat, R. L. Speth, “Cantera: An Object-oriented Software Toolkit for Chemical Kinetics””, Thermodynamics, and Transport Processes, http://www.cantera.org, doi:10.5281/zenodo.170284, 2017.

HAPI

HAPI: The HITRAN Application Programming Interface R. Kochanov, I. Gordon, L. Rothman, P. Wcisło, C. Hill, J. Wilzewski, “HITRAN Application Programming Interface (HAPI): A comprehensive approach to working with spectroscopic data”, Journal of Quantitative Spectroscopy and Radiative Transfer 177 (2016) 15–30, ISSN 00224073, doi:10.1016/j.jqsrt.2016.03.005.

RADIS-2018

E. Pannier, C. O. Laux, “RADIS: A Nonequilibrium Line-by-Line Radiative Code for CO2 and HITRAN-like database species”, Journal of Quantitative Spectroscopy and Radiative Transfer (2018) doi:10.1016/j.jqsrt.2018.09.027

Spectral-Synthesis-Algorithm

D.C.M. van den Bekerom, E. Pannier, “A Discrete Integral Transform for Rapid Spectral Synthesis”, Journal of Quantitative Spectroscopy and Radiative Transfer (2021) doi:10.1016/j.jqsrt.2020.107476

Rothman-1998

L.S. Rothman, C.P. Rinsland, A. Goldman, S.T. Massie D.P. Edwards, J-M. Flaud, A. Perrin, C. Camy-Peyret, V. Dana, J.-Y. Mandin, J. Schroeder, A. McCann, R.R. Gamache, R.B. Wattson, K. Yoshino, K.V. Chance, K.W. Jucks, L.R. Brown, V. Nemtchinov, P. Varanasi “The Hitran Molecular Spectroscopic Database and Hawks (Hitran Atmospheric Workstation): 1996 Edition”, Journal of Quantitative Spectroscopy and Radiative Transfer 60 (1998) 665 - 710, doi:10.1016/S0022-4073(98)00078-8

Line Databases

Reference of supported line databases:

HITRAN-2016(1,2)

I. Gordon, L. Rothman, C. Hill, R. Kochanov, Y. Tan, P. Bernath, V. Boudon, A. Campargue, B. Drouin, J. M. Flaud, R. Gamache, J. Hodges, V. Perevalov, K. Shine, M.-a. Smith, The HITRAN2016 Molecular Spectroscopic Database, Journal of Quantitative Spectroscopy and Radiative Transfer 6 (38) (2017) 3–69, ISSN 00224073, doi:10.1016/j.jqsrt.2017.06.038.

The latest HITRAN database version is automatically downloaded if using databank='hitran'.

HITEMP-2010

L. S. Rothman, I. E. Gordon, R. J. Barber, H. Dothe, R. R. Gamache, A. Goldman, V. I. Perevalov, S. A. Tashkun, J. Tennyson, HITEMP, the high-temperature molecular spectroscopic database, Journal of Quantitative Spectroscopy and Radiative Transfer 111 (15) (2010) 2139–2150, ISSN 00224073, doi:10.1016/j.jqsrt.2010.05.001.

The latest HITEMP database version is automatically downloaded if using databank='hitran'.

CDSD-4000

S. A. Tashkun, V. I. Perevalov, CDSD-4000: High-resolution, high-temperature carbon dioxide spectroscopic databank, Journal of Quantitative Spectroscopy and Radiative Transfer 112 (9) (2011) 1403–1410, ISSN 00224073, doi:10.1016/j.jqsrt.2011.03.005

For download and configuration of line databases, see the Line Databases section

Licence

The code is available for use and modifications on GitHub under a GNU LESSER GENERAL PUBLIC LICENSE (v3), i.e. modifications must remain public and under LGPLv3.

Cite

RADIS is built on the shoulders of many state-of-the-art packages and databases. If using RADIS for your work, cite all of them that made it possible :

Line-by-line algorithm :

  • cite the line-by-line code as [RADIS-2018] Main Article

  • if using the default optimization, cite the new spectral synthesis algorithm [Spectral-Synthesis-Algorithm] Spectral Synthesis Algorithm

  • for reproducibility, mention the RADIS version number. Get your version with get_version() (latest version available is PyPI)

    import radis
    radis.get_version()
    

Database and database retrieval algorithms :

Research Work

Research papers using RADIS and the associated algorithms :